2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine

C15H24N2O — CID 114125042

IUPAC2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine
SMILESCOCCC(C)(C)CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,6-7-18-3)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,6-7,9-11,16H2,1-3H3
InChIKeyLOQFQDBYTRHDHA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine

2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine (PubChem CID 114125042) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine
PubChem CID114125042
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine
SMILESCOCCC(C)(C)CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,6-7-18-3)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,6-7,9-11,16H2,1-3H3
InChIKeyLOQFQDBYTRHDHA-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CID 20754722
2-methyl-2,3-dihydro-1H-isoindol-5-amine
CID 21988160
2-ethyl-2,3-dihydro-1H-isoindol-5-amine
CID 24278731
2,3-Dihydro-1H-isoindol-5-amine
CID 14795862
tert-butyl 5-amino-2,3-dihydro-1H-isoindole-2-carboxylate
CID 22591361
2-(2-methylpropyl)-2,3-dihydro-1H-isoindol-4-amine
CID 24278641
1,1,2-trimethyl-2,3-dihydro-1H-isoindol-5-amine
CID 58289813
2,3-Dihydro-N-(1-methylethyl)-1H-isoindol-5-amine
CID 66657110
2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine
CID 3159244
2-(propan-2-yl)-2,3-dihydro-1H-isoindol-4-amine
CID 24278639
2-(3-ethoxypropyl)-2,3-dihydro-1H-isoindol-5-amine
CID 43175774
2-propyl-2,3-dihydro-1H-isoindol-5-amine
CID 43175779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine (CID 114125042) is 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine is COCCC(C)(C)CN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is LOQFQDBYTRHDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,6-7-18-3)11-17-9-12-4-5-14(16)8-13(12)10-17/h4-5,8H,6-7,9-11,16H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine?
2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 114125042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).